Project ID: plumID:19.056
Keywords: maze, ligand unbinding
PLUMED version: 2.6-dev
Contributor: Jakub Rydzewski
Submitted on: 03 Jul 2019
Last revised: 22 Aug 2019
Publication: J. Rydzewski, maze: Heterogeneous ligand unbinding along transient protein tunnels, Computer Physics Communications 247, 106865 (2020)
PLUMED input files
Last tested: 02 Jul 2020, 15:30:10
Project description and instructions
For details on how to download and install the maze module for sampling ligand unbinding, see here. The folders in 2019_CPC are labeled by the system PDB ID.
[v1] 03 Jul 2019: original submission
[v2] 22 Aug 2019: updated DOI
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